trimethyl-1,3-oxazolidine-2,4-dione

• ChemBase ID: 231
• Molecular Formular: C6H9NO3
• Molecular Mass: 143.14056
• Monoisotopic Mass: 143.05824315
• SMILES: O1C(C(=O)N(C1=O)C)(C)C
• Canonical SMILES: O=C1OC(C(=O)N1C)(C)C
• InChI: InChI=1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3
• InChIKey: IRYJRGCIQBGHIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl-1,3-oxazolidine-2,4-dione
• IUPAC Traditional name: trimethadione
• Brand Name: Absentol; Absetil; Convenixa; Convexina; Edion; Epidione; Epidone; Epixal; Etydion; Mino-Aleviatin; Minoaleuiatin; Minoaleviatin; Neo-Absentol; Petidion; Petidon; Petilep; Petimalin; Pitmal; Ptimal; Tioxanona; Tredione; Tricione; Tridilona; Tridion; Tridione; Tridone; Trilidona; Trimedal; Trimedone; Trimethin; Trimetin; Trioxanona; Triozanona; Tromedone; Troxidone
• Synonyms: Trimethadione; 3,5,5-Trimethyloxazolidine-2,4-dione; Trimethadion; Trimetadione; Trimethdione; Trimethadione; 3,5,5,-Trimethyloxazolidine-2,4-dione; 三甲双酮; 3,5,5-三甲基噁唑烷-2,4-二酮

Database IDs

• CAS Number: 127-48-0
• EC Number: 204-845-8
• MDL Number: MFCD00047084
• Beilstein Number: 121627
• Merck Index: 149706
• PubChem SID: 46504478; 160963694; 24899914
• PubChem CID: 5576

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.50414634
• LogD (pH = 7.4): 0.50414634
• Log P: 0.50414634
• Molar Refractivity: 33.2002 cm^3
• Polarizability: 13.1389475 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 0.07
• LOG S: 0.17
• Solubility (Water): 2.12e+02 g/l

PROPERTIES

Physical Property

• Solubility: 50 g/L
• Melting Point: 45-48°C
• Boiling Point: 78-80°C/5mm
• Hydrophobicity(logP): 0

Safety Information

• RTECS: RQ2100000
• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 61; 61-20/21/22
• Safety Statements: 53-22-36/37/39-45; 53-45
• TSCA Listed: 否
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H312-H332-H360; H360-H303
• GHS Precautionary statements: P201-P280-P308 + P313; P281-P201-P312-P308+P313-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Product Information

• Purity: 98%
• Grade: analytical standard, for drug analysis

DETAILS

DrugBank - DB00347

• Drug Groups: approved
• Description: An anticonvulsant effective in absence seizures, but generally reserved for refractory cases because of its toxicity. (From AMA Drug Evaluations Annual, 1994, p378)
• Indication: Used in the control of absence (petit mal) seizures that are refractory to treatment with other medications.
• Pharmacology: Paramethadione and trimethadione are anticonvulsants indicated in the control of absence (petit mal) seizures that are refractory to treatment with other medications. Dione anticonvulsants are used in the treatment of epilepsy. They act on the central nervous system (CNS) to reduce the number of seizures.
• Toxicity: Symptoms of overdose include clumsiness or unsteadiness, coma, dizziness (severe), drowsiness (severe), nausea (severe), and problems with vision.
• Affected Organisms: Humans and other mammals
• Protein Binding: 90%
• External Links: Wikipedia; Drugs.com